[gmx-users] segmentation fault in g_anaeig
gmx3 at hotmail.com
Tue Nov 17 18:14:58 CET 2009
The problem that I fixed last week occured after the use of g_covar -mwa
with a fit selection that is not the first N atoms of the system.
> Date: Tue, 17 Nov 2009 18:03:37 +0100
> Subject: Re: [gmx-users] segmentation fault in g_anaeig
> From: tsjerkw at gmail.com
> To: gmx-users at gromacs.org
> Hi Nilu,
> Can you paste the exact commands you entered, and indicate the
> selections you made? Oh, and can you check the archives to whether
> this is the same problem that was reported a few weeks ago?
> On Tue, Nov 17, 2009 at 5:53 PM, Nilu Chakrabarti
> <nilu.chakrabarti at gmail.com> wrote:
> > I am used to do PC analysis with g_covar followed by g_anaeig.
> > But recently, I am getting segmentation fault with g_anaeig.
> > The g_covar gives eigenval.xvg, eigenvec.trr and average.pdb.
> > In the next step I use those 3 files to generate -
> > (1) a projection of each individual vectors on the traj using -proj OR
> > (2) a set of pdbs for each vector using -extr -nframes options.
> > In each case I am receiving segmentation fault without any other message
> > anywhere in a file. So i have no way of figuring out where the problem is.
> > I am seeing this problem with gmx v 3.3.3 as well as with v 4.0.5.
> > I will appreciate any help and suggestions. Thanks a bunch.
> > --
> > Nilu
> > --
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> Tsjerk A. Wassenaar, Ph.D.
> Computational Chemist
> Medicinal Chemist
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